SCHEMBL6601324

SCHEMBL6601324

COc1ccc(CCO)c2c(O)cc(C(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.43
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.40
IGFBP3 P17936 3/20 0.40
PIM1 P11309 2/20 0.38
IGFBP5 P24593 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
PDE4D Q08499 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6592438 0.80 GPR35 (0.51) GPR35KDM4EL3MBTL1ALOX15IGFBP3
SCHEMBL6597066 0.79 GPR35 (0.47) GPR35KDM4EL3MBTL1ALOX15IGFBP3
SCHEMBL6601321 0.76 GPR35 (0.44) GPR35KDM4EL3MBTL1ALOX15IGFBP3
SCHEMBL6593728 0.76 MARS1 (0.42) GPR35KDM4EL3MBTL1ALOX15IGFBP3
SCHEMBL6080083 0.73 IGFBP5 (0.36) KDM4EIGFBP3PIM1IGFBP5MAPT
SCHEMBL28233478 0.73 GPR35 (0.49) GPR35KDM4EL3MBTL1ALOX15IGFBP3
SCHEMBL6081171 0.73 KDM4E (0.41) KDM4EL3MBTL1ALOX15IGFBP3PIM1
SCHEMBL6592433 0.72 PTGER1 (0.46)
SCHEMBL975858 0.70 ALOX15 (0.56) GPR35KDM4EL3MBTL1ALOX15IGFBP3
SCHEMBL1166810 0.69 GPR35 (0.50) GPR35KDM4EL3MBTL1ALOX15IGFBP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO disclosed